iterations/neb0_image03_iter165_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364623520751E+03 0.36462E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.216284998937E+00 -0.36441E+03 -0.35407E+03 869 0.195E+02
DAV: 3 -0.961599178005E+02 -0.96376E+02 -0.96078E+02 677 0.115E+02
DAV: 4 -0.100244643236E+03 -0.40847E+01 -0.40748E+01 704 0.270E+01
DAV: 5 -0.100324667188E+03 -0.80024E-01 -0.79988E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917095051538E+02 0.86152E+01 -0.30889E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908694559579E+02 0.84005E+00 -0.18154E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904723306629E+02 0.39713E+00 -0.54200E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903762663983E+02 0.96064E-01 -0.14019E-01 712 0.181E+00 0.436E-01
DAV: 10 -0.903684090003E+02 0.78574E-02 -0.41988E-02 712 0.108E+00 0.328E-01
DAV: 11 -0.903734730621E+02 -0.50641E-02 -0.11983E-02 602 0.697E-01 0.161E-01
DAV: 12 -0.903749983202E+02 -0.15253E-02 -0.31269E-03 656 0.300E-01 0.134E-01
DAV: 13 -0.903791898658E+02 -0.41915E-02 -0.43008E-03 624 0.429E-01 0.872E-02
DAV: 14 -0.903823948405E+02 -0.32050E-02 -0.91244E-04 669 0.175E-01 0.696E-02
DAV: 15 -0.903845346661E+02 -0.21398E-02 -0.77857E-04 653 0.173E-01 0.229E-02
DAV: 16 -0.903864071644E+02 -0.18725E-02 -0.33282E-04 672 0.941E-02 0.273E-02
DAV: 17 -0.903872517557E+02 -0.84459E-03 -0.83455E-05 666 0.555E-02 0.191E-02
DAV: 18 -0.903876060239E+02 -0.35427E-03 -0.93674E-05 680 0.575E-02 0.104E-02
DAV: 19 -0.903877912496E+02 -0.18523E-03 -0.26754E-05 557 0.401E-02 0.425E-03
DAV: 20 -0.903878715732E+02 -0.80324E-04 -0.97017E-06 472 0.159E-02 0.428E-03
DAV: 21 -0.903879234752E+02 -0.51902E-04 -0.75414E-06 456 0.159E-02 0.428E-03
DAV: 22 -0.903879531422E+02 -0.29667E-04 -0.46675E-06 445 0.116E-02 0.277E-03
DAV: 23 -0.903879615609E+02 -0.84187E-05 -0.22925E-06 488 0.940E-03
1 F= -.90387962E+02 E0= -.90396688E+02 d E =0.261808E-01